SCHEMBL4153121

SCHEMBL4153121

c1ccc2cc(-c3cc4ccc5ccc(-c6ccc7ccccc7c6)c6ccc(c3)c4c56)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.48
CYP1A2 P05177 2/20 0.47
ERBB2 P04626 1/20 0.47
FYN P06241 1/20 0.47
MAOA P21397 1/20 0.47
ACHE P22303 1/20 0.47
AHR P35869 1/20 0.47
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ALOX5 P09917 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
DHFR P00374 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2789566 0.93 GSTP1 (0.52) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL3687907 0.93 GSTP1 (0.55) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL3792915 0.93 GSTP1 (0.55) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL2967928 0.91 CYP1A2 (0.46) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL24728748 0.89 ESR1 (0.52) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL2961222 0.89 CYP1A2 (0.48) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL23110220 0.86 GSTP1 (0.40) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL14101637 0.84 GSTP1 (0.41) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL2252733 0.83 GSTP1 (0.40) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL14101529 0.83 S1PR5 (0.41) GSTP1CYP1A2ERBB2FYNMAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090009073-A1 Oligoarylene Derivatives and Organic Electroluminescent Devices Made By Using The Same IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009074-A1 Oligoarylene Derivatives and Organic Electroluminescent Devices Made By Using The Same IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-7429425-B2 Oligoarylene derivatives and organic electroluminescent devices made by using the same IDEMITSU KOSAN COMPANY, LTD. (JP) 2008-09-30 US disclosed
US-20060134456-A1 Oligoarylene derivatives and organic electroluminescent devices made by using the same IDEMITSU KOSAN CO., LTD (JP) 2006-06-22 US disclosed
EP-1533290-A1 OLIGOARYLENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES MADE BY USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-05-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090009074-A1 Oligoarylene Derivatives and Organic Electroluminescent Devices Made By Using The Same NR0B2, ADRB3, NR0B1 GSTP1 3620/4885CYP1A2 712/4885ERBB2 2896/4885
US-20090009073-A1 Oligoarylene Derivatives and Organic Electroluminescent Devices Made By Using The Same NR0B2, ADRB3, NR0B1 GSTP1 3427/4885CYP1A2 701/4885ERBB2 3110/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.